# ------------------------------------------------------------- # Analysis from File # ------------------------------------------------------------- configuration = nlread(u'zero-bias.nc', object_id='gID000')[0] # ------------------------------------------------------------- # IV Curve # ------------------------------------------------------------- biases = [0.000000, 0.250000, 0.500000, 0.750000, 1.000000]*Volt iv_curve = IVCurve( configuration=configuration, biases=biases, energies=numpy.linspace(-2,2,101)*eV, kpoints=MonkhorstPackGrid(5,5), self_energy_calculator=KrylovSelfEnergy(), energy_zero_parameter=AverageFermiLevel, infinitesimal=1e-06*eV, selfconsistent_configurations_filename_prefix="ivcurve_selfconsistent_configuration_", log_filename_prefix="ivcurve_" ) nlsave('finite-bias.nc', iv_curve) nlprint(iv_curve)